CID 138707838

5-methoxy-2,3-dihydro-1lambda6,2-benzothiazole-1,1-dione

Structural Information

Molecular Formula
C8H9NO3S
SMILES
COC1=CC2=C(C=C1)S(=O)(=O)NC2
InChI
InChI=1S/C8H9NO3S/c1-12-7-2-3-8-6(4-7)5-9-13(8,10)11/h2-4,9H,5H2,1H3
InChIKey
QDDRPQASTIPLLZ-UHFFFAOYSA-N
Compound name
5-methoxy-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

199.03032 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.03760 136.9
[M+Na]+ 222.01954 148.1
[M-H]- 198.02304 139.8
[M+NH4]+ 217.06414 160.0
[M+K]+ 237.99348 144.9
[M+H-H2O]+ 182.02758 132.6
[M+HCOO]- 244.02852 154.2
[M+CH3COO]- 258.04417 176.3
[M+Na-2H]- 220.00499 142.0
[M]+ 199.02977 139.9
[M]- 199.03087 139.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe